Relation between the substituent effect and aromaticity in imidazole derivatives: A comparative study

► The aromaticity character of imidazole derivatives at 2, 4 and 5 positions calculated using various methods. ► The effect of substituent on aromaticity investigated. ► The aromaticities were compared with each other. ► The aromaticity character of imidazolate anions and imidazolium cations calculated and compared.